(3E)-5-[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]-3-[5-[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]-2-oxofuran-3-ylidene]furan-2-one | 1330777-14-4

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: (3E)-5-[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]-3-[5-[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]-2-oxofuran-3-ylidene]furan-2-one
• CAS: 1330777-14-4
• 化学式: C₄₈H₃₈N₂O₈
• 分子量: 770.838
• InChiKey: HZZXTHBXTMGGGM-VGFSZAGXSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  10.1
• 重原子数：
  58
• 可旋转键数：
  12
• 环数：
  8.0
• sp3杂化的碳原子比例：
  0.08
• 拓扑面积：
  96
• 氢给体数：
  0
• 氢受体数：
  10

反应信息

• 作为产物：
  描述：

  dimethyl 2,3-bis[2-[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]ethynyl]but-2-enedioate 在 盐酸 、 溶剂黄146 作用下， 以 水 为溶剂， 反应 24.0h， 以11%的产率得到(3E)-5-[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]-3-[5-[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]-2-oxofuran-3-ylidene]furan-2-one
  参考文献：
  名称：

  Double Lactonization in Triarylamine-Conjugated Dimethyl Diethynylfumarate: Formation of Intensely Colored and Luminescent Quadrupolar Molecules Including a Missing Structural Isomer of Pechmann Dyes

  摘要：

  Acid-induced double lactonization in triary-lamine-conjugated dimethyl diethynylfumarate E-1 opens up a new synthetic route to Pechmann dyes. This one-pot reaction affords three donor-acceptor-donor quadrupolar molecules (P-55-1, P-66-1, and P-56-1); P-56-1 comprises a missing structural isomer of Pechmann dyes. They are intensely colored and brightly luminescent. An organic field-effect transistor device fabricated with P-66-1 functions as a p-type semiconductor.

  DOI：

  10.1021/ja2054176

文献信息

• COMPOUND COMPRISING TRIARYLAMINE MOIETIES AND A CONDENSED RING MOIETY, AND THE PRODUCTION METHOD THEREOF
  申请人：Nishihara Hiroshi

  公开号：US20110077416A1

  公开（公告）日：2011-03-31

  The present invention provides a compound having absorbing and luminescence wavelengths at relatively longer wavelength side of the visible area, and having thermal stability, which acts as a dye and/or a luminescence material and has practical utility therefor, and a production method thereof. The above subject of the present invention can be solved by a compound represented by general formula I: R 1 —X—R 2 , wherein R 1 and R 2 each independently represents, for example, an N,N-diaryl-4-aminophenyl group, and X is one condensed ring group selected from the group consisting of following formulae X-1 to X-3:
• US8309743B2
  申请人：——

  公开号：US8309743B2

  公开（公告）日：2012-11-13